(3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide

C22H26ClN5O — CID 141418264

IUPAC(3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)(C)N1CCC[C@@H](C(=O)Nc2cc(-c3cnc4cc[nH]c4c3)c(Cl)cn2)C1
InChIInChI=1S/C22H26ClN5O/c1-22(2,3)28-8-4-5-14(13-28)21(29)27-20-10-16(17(23)12-26-20)15-9-19-18(25-11-15)6-7-24-19/h6-7,9-12,14,24H,4-5,8,13H2,1-3H3,(H,26,27,29)/t14-/m1/s1
InChIKeyYEADCONTEIABOY-CQSZACIVSA-N
MW411.94 g/mol
LogP4.73
Rot. Bonds3

About (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide

(3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 141418264) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID141418264
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name(3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCC(C)(C)N1CCC[C@@H](C(=O)Nc2cc(-c3cnc4cc[nH]c4c3)c(Cl)cn2)C1
InChIInChI=1S/C22H26ClN5O/c1-22(2,3)28-8-4-5-14(13-28)21(29)27-20-10-16(17(23)12-26-20)15-9-19-18(25-11-15)6-7-24-19/h6-7,9-12,14,24H,4-5,8,13H2,1-3H3,(H,26,27,29)/t14-/m1/s1
InChIKeyYEADCONTEIABOY-CQSZACIVSA-N
XLogP4.73
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-tert-butyl-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
CID 67043196
tert-butyl N-[3-[2-[[(3R)-1-tert-butylpiperidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]phenyl]-N-(oxan-4-ylmethyl)carbamate
CID 67033539
N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
CID 72661282
tert-butyl 3-[[5-chloro-4-(2-ethyl-3-fluorophenyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 123166458
methyl 3-[[5-chloro-4-[2-chloro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 77401600
tert-butyl (3R)-3-[[5-chloro-4-[3-(1,3-thiazol-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 90414159
tert-butyl 3-[[5-chloro-4-[3-[(2-methylpropan-2-yl)oxycarbonyl-(oxan-4-ylmethyl)amino]phenyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67033613
N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 77401595
tert-butyl (3R)-3-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67043985
tert-butyl 3-[[5-chloro-4-[1-[(3-fluorophenyl)methyl]-3-formylpyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 90413521
3-[[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
CID 175103747
methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67980053

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide (CID 141418264) is (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide is CC(C)(C)N1CCC[C@@H](C(=O)Nc2cc(-c3cnc4cc[nH]c4c3)c(Cl)cn2)C1.
What is the InChIKey of (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is YEADCONTEIABOY-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26ClN5O/c1-22(2,3)28-8-4-5-14(13-28)21(29)27-20-10-16(17(23)12-26-20)15-9-19-18(25-11-15)6-7-24-19/h6-7,9-12,14,24H,4-5,8,13H2,1-3H3,(H,26,27,29)/t14-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide?
(3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 411.94 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-N-[5-chloro-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 141418264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).